SCHEMBL5566877

SCHEMBL5566877

COc1ccc(N2CCCC2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
ALDH1A3 P47895 1/20 0.61
KDM4E B2RXH2 2/20 0.56
MAPT P10636 7/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TSHR P16473 3/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HSD17B10 Q99714 2/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13030868 0.98 ALDH1A1 (0.59) ALDH1A1ALDH1A3KDM4EMAPTNPSR1
SCHEMBL6710534 0.88 HTR3A (0.62) ALDH1A1ALDH1A3MAPTHTR3EHTR3B
SCHEMBL17145033 0.87 DRD2 (0.55) ALDH1A1ALDH1A3KDM4EMAPTNPSR1
SCHEMBL2096907 0.87 KDM4E (0.49) ALDH1A1ALDH1A3KDM4EMAPTNPSR1
SCHEMBL12932476 0.86 HTR3A (0.64) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL8360744 0.86 DRD2 (0.62) ALDH1A1ALDH1A3KDM4EMAPTTSHR
SCHEMBL9830402 0.85 MAPT (0.63) ALDH1A1ALDH1A3KDM4EMAPTNPSR1
Hydrochloric Acid SCHEMBL1062874 0.85 HTR3A (0.62) KDM4EMAPTHTR3EHTR3BHTR3A
SCHEMBL4143536 0.84 KDM4E (0.49) ALDH1A1ALDH1A3KDM4EMAPTNPSR1
SCHEMBL233151 0.84 HTR3A (0.71) MAPTHTR3EHTR3BHTR3AHTR3D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALDH1A1 1653/4885ALDH1A3 2014/4885KDM4E 2383/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALDH1A1 1653/4885ALDH1A3 2014/4885KDM4E 2383/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.